(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol

C7H11ClO — CID 130827035

IUPAC(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
SMILESO[C@H]1C[C@@H]2CC[C@H]1[C@H]2Cl
InChIInChI=1S/C7H11ClO/c8-7-4-1-2-5(7)6(9)3-4/h4-7,9H,1-3H2/t4-,5+,6-,7-/m0/s1
InChIKeyDUBZEDLBMVMLCF-VZFHVOOUSA-N
MW146.62 g/mol
LogP1.38
Rot. Bonds

About (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol

(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol (PubChem CID 130827035) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
PubChem CID130827035
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
SMILESO[C@H]1C[C@@H]2CC[C@H]1[C@H]2Cl
InChIInChI=1S/C7H11ClO/c8-7-4-1-2-5(7)6(9)3-4/h4-7,9H,1-3H2/t4-,5+,6-,7-/m0/s1
InChIKeyDUBZEDLBMVMLCF-VZFHVOOUSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol (CID 130827035) is (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol is O[C@H]1C[C@@H]2CC[C@H]1[C@H]2Cl.
What is the InChIKey of (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol?
The InChIKey is DUBZEDLBMVMLCF-VZFHVOOUSA-N. The full InChI is InChI=1S/C7H11ClO/c8-7-4-1-2-5(7)6(9)3-4/h4-7,9H,1-3H2/t4-,5+,6-,7-/m0/s1.
What are the key properties of (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol?
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol has a molecular weight of 146.62 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130827035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).